Analysis of High and Selective Uptake of CO₂ in an Oxamide‐Containing {Cu₂(OOCR)₄}‐Based Metal–Organic Framework

Abstract

Martin (2014) Analysis of high and selective uptake of CO2 in an oxamide-containing {Cu2(OOCR)4}-based metal-organic framework. 20 (24 A note on versions:The version presented here may differ from the published version or from the version of record. If you wish to cite this item you are advised to consult the publisher's version. Please see the repository url above for details on accessing the published version and note that access may require a subscription.For more information, please contact eprints@nottingham.ac.uk Grand canonical Monte Carlo (GCMC) simulations show excellent agreement with the experimental gas isotherm data, and a computational study into the specific interactions and binding energies of both CO 2 and CH 4 with the linkers in NOTT-125 reveals a set of strong interactions between CO 2 and the oxamide motif, which are not possible with a single amide.3

Effect of the structural constituents of metal organic frameworks on carbon dioxide capture

“…Because of the dramatic increase in CO 2 capture with the availability of nitrogen containing functional groups due to the formation of dipole-quadrupole interactions between CO 2 and nitrogen atoms, much research on the topic has been done [154]. Li [156].…”

A novel metal-organic framework for high storage and separation of acetylene at room temperature

“…S4) and Langmuir surface areas based on the N 2 adsorption at 77 K are 2392 m 2 /g and 2591 m 2 /g. Although the BET value is slightly smaller than those of prototype NOTT-101 [7,20] because of the presence of the hydroxy groups inside the pore, it are comparable to those of these NbO-type MOFs such as ZJNU-40 [14], NJU-Bai14 [15], HNUST-2 [16], ZJU-26 [17], ZJU-9 [18], PCN-16 [19], NOTT-105 [20], NOTT-125a [21]. ZJU-10 has a wide pore size distribution with the range from 5 Å to 14 Å which is consistent with the pore sizes from the single-crystal X-ray diffraction (Fig.…”

“…The various factors such as pore spaces/structure (pore size and pore shape), framework densities and open metal sites have been proved to impact on the performance of MOFs materials for gas storage and separation [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29]. HKUST-1 with high density open Cu 2 þ sites exhibits an exceptionally high gravimetric acetylene storage capacity of 201 cm 3 (STP)/g at room temperature and atmospheric pressure [30].…”

“…The open metal sites can be straightforwardly generated through removing coordinative water or solvent molecules, followed by the vacuum activation and/or in situ thermal. The considerable researches have testified that NbO-type series of MOFs constructed from copper paddle-wheel Cu 2 (COO) 4 cluster and a variety of tetra-carboxylates show attractive application prospects in the field of acetylene storage and separation due to the open Cu 2 þ sites and suitable pore sizes [14][15][16][17][18][19][20][21][22][23][24][25][26]. Herein, we report a novel NbO-type metal-organic framework [Cu 2 (L)(H 2 O) 2 ]•(DMF) 6 Á (H 2 O) 2 (ZJU-10, ZJU ¼ Zhejiang University; DMF ¼N,N-dimethylformamide) constructs from the tetracarboxylate ligand H 4 L (Scheme 1) (H 4 L ¼2′-hydroxy-[1,1′:4′,1″-terphenyl]-3,3″,5,5″-tetracarboxylic acid).…”

Crystallographic investigation into the self-assembly, guest binding, and flexibility of urea functionalised metal-organic frameworks

“…For example, grafting hydrogen bond donor functionality, such as amides (11)(12)(13)(14)(15)(16)(17)(18)(19)(20), ureas (21)(22)(23)(24)(25)(26)(27)(28)(29)(30)(31)(32), thioureas (33), and squaramides (34)(35)(36), (Figure 1(a)) onto the organic scaffold of the MOF can enhance properties including carbon dioxide capture (13,15,17,18), anion binding (20,21), sensing (28), and organocatalytic activity (6). Urea-functionalised MOFs in particular have been found to catalyse FriedelCrafts reactions between pyrroles and nitroalkenes (22,24,27,29,31), Henry reactions between aldehydes and nitromethane (23), and the methanolysis of epoxides (25).…”